CAS No.64808-48-6,BENZOIC ACID, 2-[(2-CARBOXYPHENYL)AMINO]-4-CHLORO-, DISODIUM SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	64808-48-6
Name:	BENZOIC ACID, 2-[(2-CARBOXYPHENYL)AMINO]-4-CHLORO-, DISODIUM SALT
Article Data:	1

Formula:	C14H10 Cl N O4 . 2 Na
Molecular Weight:	335.654
Synonyms:	Benzoicacid, 2-[(2-carboxyphenyl)amino]-4-chloro-, disodium salt (9CI); CCA; Carfenil;Disodium N-(2-carboxyphenyl)-4-chloroanthranilic acid; Lobenzarit disodium;Lobenzarit disodium salt; Lobenzarit sodium
Melting Point:	388° (dec)
Boiling Point:	481°C at 760 mmHg
Flash Point:	244.7°C
Solubility:	Soluble in water
Safety:	Poison by intravenous, subcutaneous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x and Cl⁻.
PSA:	92.29000
LogP:	0.88360

Synthetic route

: 64-17-5
ethanol

: 63329-53-3
lobenzarit

: 64808-48-6
Carfenil

Conditions

Conditions	Yield
In sodium hydroxide; water

: 64808-48-6
Carfenil

: 146664-23-5
[4-chloro-2-(2-hydroxymethyl-phenylamino)-phenyl]-methanol

Conditions

Conditions	Yield
With hydrogenchloride; borane-THF; water In tetrahydrofuran at 0 - 20℃;	95%

: 64808-48-6
Carfenil

: 848128-24-5
3-chloro-12,13-dimethoxy-10,15-dihydro-5H-5-aza-tribenzo[a,d,g]cyclononene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / HCl; H2O; BH3*THF / tetrahydrofuran / 0 - 20 °C 2: 68 percent / H2SO4 / various solvent(s) / 0 °C View Scheme

: 64808-48-6
Carfenil

: 3-chloro-12,13-dimethoxy-5-methyl-10,15-dihydro-5H-5-aza-tribenzo[a,d,g]cyclononene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / HCl; H2O; BH3*THF / tetrahydrofuran / 0 - 20 °C 2: 68 percent / H2SO4 / various solvent(s) / 0 °C 3: 47 percent / NaH / dimethylsulfoxide / Heating View Scheme

: 64808-48-6
Carfenil

: [3-(3-chloro-12,13-dimethoxy-10,15-dihydro-5-aza-tribenzo[a,d,g]cyclononen-5-yl)-propyl]-dimethyl-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / HCl; H2O; BH3*THF / tetrahydrofuran / 0 - 20 °C 2: 68 percent / H2SO4 / various solvent(s) / 0 °C 3: 66 percent / NaH / dimethylsulfoxide / Heating View Scheme

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Chemistry

IUPAC Name: disodium 2-(2-carboxylatoanilino)-4-chlorobenzoate
Synonyms of Lobenzarit disodium (CAS NO.64808-48-6): Lobenzarit disodium salt ; Lobenzarit sodium [USAN] ; 2-((2-Carboxyphenyl)amino)-4-chlorobenzoic acid disodium salt ; Benzoic acid, 2-((2-carboxyphenyl)amino)-4-chloro-, disodium salt ; CCRIS 8090 ; Disodium 4-chloro-2,2'-iminobenzoate ; Disodium 4-chloro-2,2'-iminodibenzoate ; Lobenzarit sodium ; UNII-7Z9SP74BXF ;
CAS NO: 64808-48-6
Molecular Formula of Lobenzarit disodium (CAS NO.64808-48-6): C₁₄H₈ClNNa₂O₄
Molecular Weight: 335.6502
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 77.84 Å²
Flash Point: 244.7 °C
Enthalpy of Vaporization of Lobenzarit disodium (CAS NO.64808-48-6): 78.54 kJ/mol
Boiling Point: 481 °C at 760 mmHg
Vapour Pressure: 4.62E-10 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	320mg/kg (320mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: FLUID INTAKE SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.
mouse	LD50	intravenous	400mg/kg (400mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.
mouse	LD50	oral	740mg/kg (740mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.
mouse	LD50	subcutaneous	500mg/kg (500mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.
rat	LD50	intraperitoneal	263mg/kg (263mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: FLUID INTAKE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.
rat	LD50	oral	1150mg/kg (1150mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: FLUID INTAKE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.
rat	LD50	subcutaneous	314mg/kg (314mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: FLUID INTAKE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 4579, 1987.

Safety Profile

Poison by intravenous, subcutaneous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x and Cl⁻.